WO2005045627A3 - Method and system of product development process for chemical compositions using high volume modeling - Google Patents

Method and system of product development process for chemical compositions using high volume modeling Download PDF

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Publication number
WO2005045627A3
WO2005045627A3 PCT/US2004/035821 US2004035821W WO2005045627A3 WO 2005045627 A3 WO2005045627 A3 WO 2005045627A3 US 2004035821 W US2004035821 W US 2004035821W WO 2005045627 A3 WO2005045627 A3 WO 2005045627A3
Authority
WO
WIPO (PCT)
Prior art keywords
specification requirements
product development
lubricating oil
oil composition
received specification
Prior art date
Application number
PCT/US2004/035821
Other languages
French (fr)
Other versions
WO2005045627A2 (en
Inventor
Robert H Wollenberg
Thomas J Balk
Original Assignee
Chevron Oronite Co
Robert H Wollenberg
Thomas J Balk
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Chevron Oronite Co, Robert H Wollenberg, Thomas J Balk filed Critical Chevron Oronite Co
Priority to CA2542901A priority Critical patent/CA2542901C/en
Priority to JP2006538252A priority patent/JP2007510778A/en
Priority to EP04796656A priority patent/EP1680756A4/en
Publication of WO2005045627A2 publication Critical patent/WO2005045627A2/en
Publication of WO2005045627A3 publication Critical patent/WO2005045627A3/en

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    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06Q—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES, NOT OTHERWISE PROVIDED FOR
    • G06Q50/00—Information and communication technology [ICT] specially adapted for implementation of business processes of specific business sectors, e.g. utilities or tourism
    • G06Q50/04—Manufacturing
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
    • Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
    • Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
    • Y02P—CLIMATE CHANGE MITIGATION TECHNOLOGIES IN THE PRODUCTION OR PROCESSING OF GOODS
    • Y02P90/00—Enabling technologies with a potential contribution to greenhouse gas [GHG] emissions mitigation
    • Y02P90/30—Computing systems specially adapted for manufacturing

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  • Engineering & Computer Science (AREA)
  • Business, Economics & Management (AREA)
  • Theoretical Computer Science (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Manufacturing & Machinery (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Chemical & Material Sciences (AREA)
  • Economics (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Human Resources & Organizations (AREA)
  • Marketing (AREA)
  • Primary Health Care (AREA)
  • Strategic Management (AREA)
  • Tourism & Hospitality (AREA)
  • Physics & Mathematics (AREA)
  • General Business, Economics & Management (AREA)
  • General Physics & Mathematics (AREA)
  • Lubricants (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)

Abstract

A method and system of transforming a product development process to reduce time in bringing a product to market through high throughput experimentation and advanced statistics and informatics, to transform the product development to a level of higher correlation with engine tests, and to develop better commercial products. This is achieved by modeling in Silico a plurality of component molecular models; deriving in Silico molecular characteristics (descriptors) for each of the plurality of compiled molecular models; creating at least one combinatorial library database record for each of the formulations, the at least one record having a plurality fields for storing information about compositional characteristics; receiving specification requirements for a lubricating oil composition; selecting from a database entries corresponding to compositions having specifications comparable to the received specification requirements; formulating a new lubricating oil composition to comply with received specification requirements; testing the new lubricant oil for compliance with received specification requirements; repeating the selecting, formulating, and testing steps until compliance with received specification requirements is achieved; and correlating the new lubricating oil composition to actual engine performance.
PCT/US2004/035821 2003-10-31 2004-10-27 Method and system of product development process for chemical compositions using high volume modeling WO2005045627A2 (en)

Priority Applications (3)

Application Number Priority Date Filing Date Title
CA2542901A CA2542901C (en) 2003-10-31 2004-10-27 Method and system of product development process for chemical compositions using high volume modeling
JP2006538252A JP2007510778A (en) 2003-10-31 2004-10-27 Product development method and system for chemical composition using 3D modeling
EP04796656A EP1680756A4 (en) 2003-10-31 2004-10-27 Method and system of product development process for chemical compositions using high volume modeling

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US10/699,506 US7069203B2 (en) 2003-10-31 2003-10-31 Method and system of product development process for chemical compositions using high volume modeling
US10/699,506 2003-10-31

Publications (2)

Publication Number Publication Date
WO2005045627A2 WO2005045627A2 (en) 2005-05-19
WO2005045627A3 true WO2005045627A3 (en) 2006-03-16

Family

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Family Applications (1)

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PCT/US2004/035821 WO2005045627A2 (en) 2003-10-31 2004-10-27 Method and system of product development process for chemical compositions using high volume modeling

Country Status (6)

Country Link
US (1) US7069203B2 (en)
EP (1) EP1680756A4 (en)
JP (1) JP2007510778A (en)
CN (1) CN100565544C (en)
CA (1) CA2542901C (en)
WO (1) WO2005045627A2 (en)

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WO2007016309A2 (en) * 2005-07-29 2007-02-08 Exxonmobil Research And Engineering Company Method to determine predictive tests and device applying same to lubricant formulations
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US7972726B2 (en) 2006-07-10 2011-07-05 The Gillette Company Primary alkaline battery containing bismuth metal oxide
US7684933B2 (en) * 2006-11-21 2010-03-23 Exxonmobil Research And Engineering Company Automated intelligent system for lubricant manufacture optimization
WO2009085834A1 (en) * 2007-12-20 2009-07-09 Chevron U.S.A. Inc. Base oil properties expert system
US20090240640A1 (en) * 2008-03-21 2009-09-24 David Alan Blain Apparatus and method for predicting engine test performance from bench test data
CN102446235A (en) * 2010-10-11 2012-05-09 中国石油化工股份有限公司 Method for simulating and calculating interaction parameters among chemical components by using computer
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CN105005641B (en) * 2015-06-18 2018-01-16 大连理工大学 Method of the QSAR model predictions organic compound based on comprehensive toxicity binding mode classification structure to Daphnia magna acute toxicity
US11232241B2 (en) * 2018-07-16 2022-01-25 Uchicago Argonne, Llc Systems and methods for designing new materials for superlubricity
US11004037B1 (en) * 2019-12-02 2021-05-11 Citrine Informatics, Inc. Product design and materials development integration using a machine learning generated capability map
US20220300894A1 (en) * 2021-03-16 2022-09-22 Exxonmobil Research And Engineering Company Methods and systems for optimizing a lubricants value chain

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Also Published As

Publication number Publication date
JP2007510778A (en) 2007-04-26
CN1875368A (en) 2006-12-06
CN100565544C (en) 2009-12-02
CA2542901C (en) 2015-01-06
EP1680756A4 (en) 2008-02-20
CA2542901A1 (en) 2005-05-19
US20050096895A1 (en) 2005-05-05
US7069203B2 (en) 2006-06-27
EP1680756A2 (en) 2006-07-19
WO2005045627A2 (en) 2005-05-19

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